ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate

C19H23N3O6S2 — CID 55333561

IUPACethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H23N3O6S2/c1-2-28-18(24)16-13-29-19(20-16)21-17(23)8-5-14-3-6-15(7-4-14)30(25,26)22-9-11-27-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,20,21,23)
InChIKeyVSLSCYXEEFPHGF-UHFFFAOYSA-N
MW453.54 g/mol
LogP1.91
Rot. Bonds8

About ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 55333561) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
PubChem CID55333561
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Nameethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H23N3O6S2/c1-2-28-18(24)16-13-29-19(20-16)21-17(23)8-5-14-3-6-15(7-4-14)30(25,26)22-9-11-27-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,20,21,23)
InChIKeyVSLSCYXEEFPHGF-UHFFFAOYSA-N
XLogP1.91
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55722672
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55895813
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 5190047
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605012
ethyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333395
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
ethyl 2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55333774

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate (CID 55333561) is ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is VSLSCYXEEFPHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-2-28-18(24)16-13-29-19(20-16)21-17(23)8-5-14-3-6-15(7-4-14)30(25,26)22-9-11-27-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,20,21,23).
What are the key properties of ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).